Vitas-M small molecule compound

(4E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-{2-[2-chloro-5-(trifluoromethyl)phenyl]hydrazinylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK081996
SMILES Clc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2cc(ccc2Cl)C(F)(F)F)/C1=O)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C20H12Cl2F3N5OS MW 498.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12Cl2F3N5OS/c1-10-17(28-27-15-8-12(20(23,24)25)4-7-14(15)22)18(31)30(29-10)19-26-16(9-32-19)11-2-5-13(21)6-3-11/h2-9,27H,1H3/b28-17+
InChIKey
RUEDYIQOMMHWND-OGLMXYFKSA-N
Synonyms

(4E)2(4(4chlorophenyl)13thiazol2yl)4((2chloro5(trifluoromethyl)phenyl)hydrazinylidene)5methylpyrazol3one
(4E)2(4(4CHLOROPHENYL)13THIAZOL2YL)4(2(2CHLORO5(TRIFLUOROMETHYL)PHENYL)HYDRAZINYLIDENE)5METHYL24DIHYDRO3HPYRAZOL3ONE
1(4(4CHLOROPHENYL)13THIAZOL2YL)3METHYL1HPYRAZOLE45DIONE4((2CHLORO5(TRIFLUOROMETHYL)PHENYL)HYDRAZONE)
CC1=NN(C(=O)C1=NNC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=NC(=CS3)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2cc(ccc2Cl)C(F)(F)F)C1=O)C
InChI=1SC20H12Cl2F3N5OSc11017(282715812(20(2324)25)4714(15)22)18(31)30(2910)192616(93219)112513(21)6311h2927H1H3b2817+
MFCD01027801
STK081996
ZINC000100006170
ZINC12403913

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Available files

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